UCSF

ZINC52968892

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2010 25 Yes

Popular Name: PHENSERINE PHENSERINE

Find On: PubMed — Wikipedia — Google

CAS Number: 101246-66-6

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
ACES-1-E Acetylcholinesterase (cluster #1 Of 12), Eukaryotic Eukaryotes 4 0.47 Binding ≤ 10μM
ACES-1-E Acetylcholinesterase (cluster #1 Of 12), Eukaryotic Eukaryotes 12 0.44 Binding ≤ 10μM
CHLE-1-E Butyrylcholinesterase (cluster #1 Of 7), Eukaryotic Eukaryotes 1560 0.33 Binding ≤ 10μM
CHLE-1-E Butyrylcholinesterase (cluster #1 Of 7), Eukaryotic Eukaryotes 2500 0.31 Binding ≤ 10μM
Q9JKC1-1-E Butyrylcholinesterase (cluster #1 Of 1), Eukaryotic Eukaryotes 104 0.39 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
ACES_RAT P37136 Acetylcholinesterase, Rat 11.9 0.44 Binding ≤ 1μM
ACES_HUMAN P22303 Acetylcholinesterase, Human 24 0.43 Binding ≤ 1μM
ACES_ELEEL O42275 Acetylcholinesterase, Eleel 350 0.36 Binding ≤ 1μM
Q9JKC1_RAT Q9JKC1 Butyrylcholinesterase, Rat 103.7 0.39 Binding ≤ 1μM
ACES_HUMAN P22303 Acetylcholinesterase, Human 24 0.43 Binding ≤ 10μM
ACES_ELEEL O42275 Acetylcholinesterase, Eleel 350 0.36 Binding ≤ 10μM
ACES_RAT P37136 Acetylcholinesterase, Rat 11.9 0.44 Binding ≤ 10μM
CHLE_HUMAN P06276 Butyrylcholinesterase, Human 1560 0.33 Binding ≤ 10μM
Q9JKC1_RAT Q9JKC1 Butyrylcholinesterase, Rat 103.7 0.39 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Neurotransmitter Clearance In The Synaptic Cleft
Synthesis of PC
Synthesis, secretion, and deacylation of Ghrelin

Analogs ( Draw Identity 99% 90% 80% 70% )

No pre-computed analogs available. Try a structural similarity search.